SHEAR VISCOSITY OF MODEL MIXTURES BY NONEQUILIBRIUM MOLECULAR-DYNAMICS .1. ARGON KRYPTON MIXTURES

We present nonequilibrium molecular dynamics simulations of argon-krypton liquid mixtures at constant temperature and pressure (T = 135 K and P = 40 bar) as the base case for a consistent study of the role of intermolecular potentials on the transport properties of molecular liquids and their mixtures. Using Lennard-Jones models for the two species, very good agreement with experiment is obtained for the thermodynamic and transport properties of the two pure fluids. Simulations at constant temperature and density using the Barker-Fisher-Watts potentials for pure fluids yields predictions for thermodynamic properties and viscosity in excellent agreement with experiment.